N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H22F4N2O3 — CID 3196663

IUPACN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F4N2O3/c26-20-12-4-3-11-19(20)22(23(32)30-17-8-1-2-9-17)31(24(33)21-13-6-14-34-21)18-10-5-7-16(15-18)25(27,28)29/h3-7,10-15,17,22H,1-2,8-9H2,(H,30,32)
InChIKeyVGINYOIHMNKPJR-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.88
Rot. Bonds6

About N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3196663) has the molecular formula C25H22F4N2O3 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3196663
Molecular FormulaC25H22F4N2O3
Molecular Weight474.45 g/mol
Exact Mass474.16
IUPAC NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H22F4N2O3/c26-20-12-4-3-11-19(20)22(23(32)30-17-8-1-2-9-17)31(24(33)21-13-6-14-34-21)18-10-5-7-16(15-18)25(27,28)29/h3-7,10-15,17,22H,1-2,8-9H2,(H,30,32)
InChIKeyVGINYOIHMNKPJR-UHFFFAOYSA-N
XLogP5.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3613014
N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 1469234
N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211542
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196744
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469204
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469191
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 1469150

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3196663) is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is VGINYOIHMNKPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O3/c26-20-12-4-3-11-19(20)22(23(32)30-17-8-1-2-9-17)31(24(33)21-13-6-14-34-21)18-10-5-7-16(15-18)25(27,28)29/h3-7,10-15,17,22H,1-2,8-9H2,(H,30,32).
What are the key properties of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3196663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).